SCHEMBL2041102

SCHEMBL2041102

CCCCCCc1cc(C=O)c(CCCCCC)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.41
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
ALOX5 P09917 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
TYR P14679 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
PTGS2 P35354 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2037935 1.00 GPR84 (0.41) GPR84HIF1AEPAS1LIPGALOX5
SCHEMBL28429565 0.89 HIF1A (0.44) GPR84HIF1AEPAS1LIPGALOX5
SCHEMBL7088782 0.89 HIF1A (0.44) GPR84HIF1AEPAS1LIPGALOX5
SCHEMBL28428038 0.89 HIF1A (0.44) GPR84HIF1AEPAS1LIPGALOX5
SCHEMBL2050571 0.84 ALOX5 (0.47) GPR84LIPGALOX5MEN1TP53
SCHEMBL3842135 0.84 ALOX5 (0.47) GPR84LIPGALOX5MEN1TP53
SCHEMBL4225017 0.84 ALOX5 (0.47) GPR84LIPGALOX5MEN1TP53
SCHEMBL21508896 0.84 ALOX5 (0.47) GPR84LIPGALOX5MEN1TP53
SCHEMBL351893 0.84 ALOX5 (0.47) GPR84LIPGALOX5MEN1TP53
SCHEMBL1685341 0.84 ALOX5 (0.47) GPR84LIPGALOX5MEN1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8525131-B2 Phosphorescent organic compounds THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-09-03 US claimed
US-20120248337-A1 PHOSPHORESCENT ORGANIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US claimed
WO-2011066415-A2 PHOSPHORESCENT ORGANIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-06-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120248337-A1 PHOSPHORESCENT ORGANIC COMPOUNDS PAICS, PPIP5K2, PPA1 GPR84 4622/4885HIF1A 4079/4885EPAS1 4314/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.